methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate bromide

Systemtic Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate bromide Openeye Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methyl-butanoate bromide CAS Name: (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylbutanoic acid methyl ester bromide IUPAC Name: methyl (2S)-2-[2-(bromomethyl)-4,4-dimethyl-2,3-dihydropyrrol-1-ium-1-yl]-3-methylbutanoate bromide Traditional Name: (2S)-2-[2-(bromomethyl)-4,4-dimethyl-1-pyrrolin-1-ium-1-yl]-3-methyl-butyric acid methyl ester bromide Formula: C13H23Br2NO2 MolecularWeight: 385.13522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)[N+]1=CC(CC1CBr)(C)C.[Br-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)[N+]1=CC(CC1CBr)(C)C.[Br-]

InChI

InChI=1S/C13H23BrNO2.BrH/c1-9(2)11(12(16)17-5)15-8-13(3,4)6-10(15)7-14;/h8-11H,6-7H2,1-5H3;1H/q+1;/p-1/t10?,11-;/m0./s1